5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

C13H21N3O — CID 126857563

IUPAC5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCCCC2)c(=O)c1C
InChIInChI=1S/C13H21N3O/c1-11-12(2)14-10-16(13(11)17)9-8-15-6-4-3-5-7-15/h10H,3-9H2,1-2H3
InChIKeyKOXQDTZXJDBTSR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.35
Rot. Bonds3

About 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 126857563) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID126857563
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCCCC2)c(=O)c1C
InChIInChI=1S/C13H21N3O/c1-11-12(2)14-10-16(13(11)17)9-8-15-6-4-3-5-7-15/h10H,3-9H2,1-2H3
InChIKeyKOXQDTZXJDBTSR-UHFFFAOYSA-N
XLogP1.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 126857563) is 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CCN2CCCCC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is KOXQDTZXJDBTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-12(2)14-10-16(13(11)17)9-8-15-6-4-3-5-7-15/h10H,3-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 126857563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).